azepan-1-yl-[4-(dimethylamino)-3-nitro-phenyl]methanone

Systemtic Name: azepan-1-yl-[4-(dimethylamino)-3-nitro-phenyl]methanone Openeye Name: azepan-1-yl-[4-(dimethylamino)-3-nitro-phenyl]methanone CAS Name: 1-azepanyl-[4-(dimethylamino)-3-nitrophenyl]methanone IUPAC Name: azepan-1-yl-[4-(dimethylamino)-3-nitrophenyl]methanone Traditional Name: azepan-1-yl-[4-(dimethylamino)-3-nitro-phenyl]methanone Formula: C15H21N3O3 MolecularWeight: 291.34554

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)N2CCCCCC2)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)N2CCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C15H21N3O3/c1-16(2)13-8-7-12(11-14(13)18(20)21)15(19)17-9-5-3-4-6-10-17/h7-8,11H,3-6,9-10H2,1-2H3